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Nanoscopic characterization of type II porous liquid and its use for CO2 absorption from molecular simulation
Get PDFThe properties of cage(33:133) macrocycle in perchloropropene (PCP) as model for type II porous liquids were studied using molecular simulation tools. Likewise, the behaviour of CO2 in these porous liquid phases were studied to analyse the nanoscopic mechanism for carbon capture purposes. Quantum chemistry calculations using Density Functional Theory were carried out to characterize the intermolecular forces between cage, solvent and CO2 molecules. Molecular dynamics simulations of liquid phases at different cage concentration provides information on the structuring, aggregation, solvation and dynamic properties of these porous liquids. The reported results led to a full characterization of the features controlling type II porous liquids properties as well as the behaviour of carbon dioxide in them, thus providing the required information for the proper design of porous liquids and their use for carbon capturing operations. The nanoscopic structure of the studied fluids showed that it is possible to solubilize suitable amounts of the cages in the solvents to develop a network of pores in the liquid to capture CO2 in an efficient way.Ministerio de Ciencia, Innovación y Universidades (Spain, project RTI2018-101987-B-I00) and by Junta de Castilla y León (Spain, project BU094G18). We acknowledge SCAYLE (Supercomputación Castilla y León, Spain) for providing supercomputing facilities
Viscoelasticity and the Small Punch Creep Recovery Test: Numerical analysis and experimental tests on the applicability for polyvinyl chloride (PVC)
Get PDFResearch on the Small Punch Test (SPT) has been mainly focused on metallic alloys, with limited investigations in polymeric materials. The miniature size of the SPT eases and motivates its use in biomedical applications, like the mechanical characterization of surgical implants made of different polymers. It is noted that the aim of these publications was focused on mechanical properties inherent to the tensile test (yield strength, ultimate tensile strength, Young's modulus, etc.), but the applicability of this miniature test for the estimation of singular polymer properties like viscoelasticity or viscoplasticity has not been addressed.
The aim of this paper was the assessment of SPT as a characterization test for the viscoelastic properties of polymers. To analyze this applicability, numerical FEM simulations of hypothetical materials were performed and a novel Small Punch Creep Recovery Test (SPCRT) was designed. These FEM simulations were verified with experimental compressive creep recovery tests and SPCRTs for specimens made of polyvinyl chloride (PVC). The results showed that SPCRTs accurately estimated the viscoelastic properties for materials with non-stress-dependent viscoelastic properties. In the case of materials with stress-dependent viscoelastic properties, the SPCRT would estimate a mean or intermediate value of these stress-dependent viscoelastic properties
Desarrollo y evaluación del Programa de formación ¡ACOMPÁÑAME! implementado con personas con trastorno mental severo que participan en entidades sociales
Get PDFLa formación específica para las personas con problemas de salud mental permite mejorar su autopercepción y facilita su participación socio-laboral. En esta investigación se ha diseñado un programa de formación para este colectivo. Se basa en el apoyo entre iguales, es decir, personas con problemas de salud mental que apoyan a personas con problemas de salud mental. El programa se llama: ¡ACOMPÁÑAME! Y se ha implementado en distintas organizaciones sociales en España. También se ha traducido y experimentado en Italia. El apoyo entre iguales es una práctica cada vez más extendida en el mundo; lo definimos como la relación que se establece entre las personas que tienen, o han tenido, experiencias similares y se basa fundamentalmente en la empatía. A través de esta experiencia se ha abierto la posibilidad, que está en estudio, de implementar un nuevo perfil laboral para este colectivo
